X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.0 298.0 30% PEG 400, 0.1M sodium chloride, 0.1M MOPS, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K
Unit Cell:
a: 95.717 Å b: 95.717 Å c: 79.058 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 4 21 2
Crystal Properties:
Matthew's Coefficient: 3.10 Solvent Content: 60.37
Refinement Statistics
Diffraction ID Structure Solution Method Cross Validation Method Resolution Limit (High) Resolution Limit (Low) Number of Reflections (Observed) Number of Reflections (R-free) Percent Reflections (Observed) R-Work R-Free Mean Isotropic
X-RAY DIFFRACTION MOLECULAR REPLACEMENT THROUGHOUT 3.05 79.07 7130 300 99.68 0.25893 0.29897 150.323
Data Collection
Overall
Resolution Limit (High) Resolution Limit (Low) Percent Possible (Observed) R Merge I (Observed) R Sym I (Observed) Net I Over Average Sigma (I) Redundancy Number Reflections (All) Number Reflections (Observed) Observed Criterion Sigma (F) Observed Criterion Sigma (I) B (Isotropic) From Wilson Plot
3.05 79.07 99.68 ? ? 38.8 13.8 7130 7153 1.0 1.0 ?
Highest Resolution Shell
# Resolution Limits (Low) Resolution Limits (High) Percent Possible (All) Percent Possible (Observed) R-Sym I (Observed) Mean I Over Sigma (Observed) Redundancy Number Unique Reflections (All)
1 3.05 3.29 100.00 ? ? ? ? ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 100 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON APS BEAMLINE 24-ID-C 0.97920 APS 24-ID-C
Software
Software Name Purpose Version
ADSC data collection Quantum
SOLVE phasing .
REFMAC refinement 5.8.0049
HKL-2000 data reduction .
HKL-2000 data scaling .
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